{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 8.30541 7.748917 7.404025 7.153442 6.956515 6.794268 6.656298 6.536276 6.430064 6.334811 6.248466 6.169502 6.096758 6.029325 5.966479 5.907636 5.852317 5.800123 5.75072 5.703824 5.659194 5.61662 5.575922 5.53694 5.497531 5.45692 5.415032 5.371782 5.32708 5.280825 5.232905 5.183195 5.131558 5.077836 5.021855 4.963416 4.902294 4.83823 4.770927 4.70004 4.625165 4.545827 4.46146 4.371382 4.274765 4.170584 4.057553 3.934028 3.797858 3.646158 3.474923 3.278368 3.047682 2.76847 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.30541e-10 7.748917e-10 7.404025e-10 7.153442e-10 6.956514999999999e-10 6.794268e-10 6.656297999999999e-10 6.536276e-10 6.430064e-10 6.334811e-10 6.248466e-10 6.169502e-10 6.096758e-10 6.029325e-10 5.966479e-10 5.907636e-10 5.852317000000001e-10 5.800123000000001e-10 5.750720000000001e-10 5.703824e-10 5.659194000000001e-10 5.61662e-10 5.575922e-10 5.53694e-10 5.497531e-10 5.45692e-10 5.415032e-10 5.371781999999999e-10 5.32708e-10 5.280825000000001e-10 5.232905e-10 5.183195000000001e-10 5.131558e-10 5.077836e-10 5.021855e-10 4.963416e-10 4.902294000000001e-10 4.83823e-10 4.770927000000001e-10 4.700040000000001e-10 4.625165e-10 4.5458270000000003e-10 4.4614599999999997e-10 4.371382e-10 4.2747650000000003e-10 4.170584e-10 4.0575530000000006e-10 3.934028e-10 3.7978580000000005e-10 3.646158e-10 3.474923e-10 3.278368e-10 3.047682e-10 2.76847e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0.00329491 0.330534 0.935548 1.52935 1.96743 2.21022 2.28313 2.32008 2.35184 2.37905 2.40225 2.42188 2.43831 2.45186 2.46279 2.47134 2.47771 2.48207 2.48459 2.4854 2.48454 2.4818 2.47688 2.46945 2.45913 2.44545 2.42788 2.40577 2.37836 2.34473 2.30378 2.25417 2.19426 2.12202 2.03494 1.92987 1.8028 1.64861 1.4606 1.22995 0.94484 0.101819 -2.34046 -6.28926 -9.12497 -11.7872 -21.0909 -37.69 -51.8684 -86.0066 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.27902781313294e-22 5.2957385154255596e-20 1.498913145585432e-19 2.4502888352079e-19 3.15217037503062e-19 3.54116283999948e-19 3.6579775383844194e-19 3.7171779650107195e-19 3.76806309490656e-19 3.8116583211176997e-19 3.8488288190264997e-19 3.8802795463519195e-19 3.90660330844854e-19 3.9283128018392395e-19 3.9458245924488596e-19 3.95952320266956e-19 3.96972906782814e-19 3.9767145579523803e-19 3.9807520430700596e-19 3.9820498061435993e-19 3.9806719342383595e-19 3.9762819702611993e-19 3.96839926122192e-19 3.9564950888313e-19 3.93996062596842e-19 3.9180428496152998e-19 3.8898926061559196e-19 3.85446848077818e-19 3.810552819240239e-19 3.75667161903882e-19 3.69106248587652e-19 3.6115785030637795e-19 3.5155921009208396e-19 3.3998508608806797e-19 3.26033331959196e-19 3.0919926206575797e-19 2.8884040357751997e-19 2.6413644205787396e-19 2.3401391916203997e-19 1.9705971509883e-19 1.51380057086856e-19 1.63132022697246e-20 -3.74983032481164e-19 -1.0076505417150838e-18 -1.4619813719950979e-18 -1.88851764202848e-18 -3.37913471700306e-18 -6.038603733545999e-18 -8.31023385229656e-18 -1.377977648897844e-17 ] } }